CID 145915783

1872768-25-6

Structural Information

Molecular Formula
C10H17NOS
SMILES
CSCCC(=O)N1CCC(=C)CC1
InChI
InChI=1S/C10H17NOS/c1-9-3-6-11(7-4-9)10(12)5-8-13-2/h1,3-8H2,2H3
InChIKey
UBKGTARQYKTXDC-UHFFFAOYSA-N
Compound name
1-(4-methylidenepiperidin-1-yl)-3-methylsulfanylpropan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

199.10309 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.11037 146.5
[M+Na]+ 222.09231 156.4
[M+NH4]+ 217.13691 154.7
[M+K]+ 238.06625 148.1
[M-H]- 198.09581 147.5
[M+Na-2H]- 220.07776 149.7
[M]+ 199.10254 148.5
[M]- 199.10364 148.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.